SCHEMBL7424860

SCHEMBL7424860

CC(=O)Oc1cccc2ccc(=O)n(Cc3cccc(-c4noc(C)n4)c3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.50
HCRTR2 O43614 4/20 0.50
MET P08581 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DAO P14920 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
MAPT P10636 3/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TP53 P04637 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7428425 0.91 MET (0.47) HCRTR1HCRTR2METL3MBTL1LMNA
SCHEMBL7433223 0.87 MET (0.50) HCRTR1HCRTR2METL3MBTL1DAO
SCHEMBL7421333 0.84 MET (0.53) HCRTR1HCRTR2METL3MBTL1LMNA
SCHEMBL7424857 0.83 MET (0.48) HCRTR1HCRTR2METL3MBTL1LMNA
SCHEMBL7424907 0.83 SLC6A4 (0.47) HCRTR1HCRTR2METL3MBTL1DAO
SCHEMBL7421328 0.76 MET (0.52) HCRTR1HCRTR2METL3MBTL1DAO
SCHEMBL7428420 0.76 MET (0.47) HCRTR1HCRTR2METL3MBTL1LMNA
SCHEMBL7429461 0.74 MET (0.50) HCRTR1HCRTR2METL3MBTL1DAO
SCHEMBL7433220 0.73 MET (0.49) HCRTR1HCRTR2METL3MBTL1DAO
SCHEMBL7428369 0.72 P2RX3 (0.43) HCRTR1HCRTR2METLMNARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed